(7-chloranyl-1,3-benzodioxol-5-yl)methyl (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-furoylamino)-3-phenyl-propionic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C22H18ClNO6 MolecularWeight: 427.83442

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CO4)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CO4)Cl

InChI

InChI=1S/C22H18ClNO6/c23-16-9-15(11-19-20(16)30-13-29-19)12-28-22(26)17(10-14-5-2-1-3-6-14)24-21(25)18-7-4-8-27-18/h1-9,11,17H,10,12-13H2,(H,24,25)/t17-/m0/s1